Electron Wave Research Articles

Quantification of chirality based on electric toroidal monopole.

Chirality ubiquitously appears in nature; however, its quantification remains obscure owing to the lack of microscopic description at the quantum-mechanical level. We propose a way of evaluating chirality in terms of the electric toroidal monopole, a practical entity of time-reversal even pseudoscalar (parity-odd) objects reflecting relevant electronic wave functions. For this purpose, we analyze a twisted methane molecule at the quantum-mechanical level, showing that the electric toroidal monopoles become a quantitative indicator for chirality. In the twisted methane, we clarify that the handedness of chirality corresponds to the signof the expectation value of the electric toroidal monopole and that the most important ingredient is the modulation of the spin-dependent imaginary hopping between the hydrogen atoms, while the relativistic spin-orbit coupling within the carbon atom is irrelevant for chirality.

Double Superconducting Dome of Quasi Two-Dimensional TaS2 in Non-Centrosymmetric van der Waals Heterostructure.

Two-dimensional van der Waals heterostructures (2D-vdWHs) based on transition metal dichalcogenides (TMDs) provide unparalleled control over electronic properties. However, the interlayer coupling is challenged by the interfacial misalignment and defects, which hinders a comprehensive understanding of the intertwined electronic orders, especially superconductivity and charge density wave (CDW). Here, by using pressure to regulate the interlayer coupling of non-centrosymmetric 6R-TaS2 vdWHs, we observe an unprecedented phase diagram in TMDs. This phase diagram encompasses successive suppression of the original CDW states from alternating H-layer and T-layer configurations, the emergence and disappearance of a new CDW-like state, and a double superconducting dome induced by different interlayer coupling effects. These results not only illuminate the crucial role of interlayer coupling in shaping the complex phase diagram of TMD systems but also pave a new avenue for the creation of a novel family of bulk heterostructures with customized 2D properties.

Model expressions for refractive indices of electron waves in cold magnetoactive plasma of arbitrary density

Despite the undoubted importance of having fairly simple analytical expressions for the refractive indices of wave modes in a magnetoactive plasma, such expressions are known only in some particular cases. For electron waves with frequencies much higher than the lower hybrid resonance frequency, such an expression is known only for whistler waves in a dense plasma when the electron plasma frequency significantly exceeds the electron cyclotron frequency. In this Letter, we propose simple operational expressions for the refractive indices of all four electron modes in a magnetoactive plasma, namely, the fast magnetosonic, also called whistler mode, the slow extraordinary mode, the ordinary mode, and the fast extraordinary mode. The form of these expressions does not depend on the value of the ratio of plasma frequency to cyclotron frequency.

Electron wave and quantum optics in graphene.

In the last decade, graphene has become an exciting platform for electron optical experiments, in some aspects superior to conventional two-dimensional electron gases (2DEGs). A major advantage, besides the ultra-large mobilities, is the fine control over the electrostatics,
which gives the possibility of realising gap-less and compact p-n interfaces with high precision. The latter host non-trivial states, \eg, snake states in moderate magnetic fields, and serve as building blocks of complex electron interferometers. Thanks to the Dirac spectrum and its non-trivial Berry phase, the internal (valley and sublattice) degrees of freedom, and the possibility to tailor the band structure using proximity effects, such interferometers open up a completely new playground based on novel device architectures. In this review, we introduce the theoretical background of graphene electron optics, fabrication methods used to realise electron-optical devices, and techniques for corresponding numerical simulations. Based on this, we give a comprehensive review of ballistic transport experiments and simple building blocks of electron optical devices both in single and bilayer graphene, highlighting the novel physics that is brought in compared to conventional 2DEGs. After describing the different magnetic field regimes in graphene p-n junctions and nanostructures, we conclude by discussing the state of the art in graphene-based Mach-Zender and Fabry-Perot interferometers.

Effective Manipulation of a Colossal Second-Order Transverse Response in an Electric-Field-Tunable Graphene Moiré System.

The second-order nonlinear transport illuminates a frequency-doubling response emerging in quantum materials with a broken inversion symmetry. The two principal driving mechanisms, the Berry curvature dipole and the skew scattering, reflect various information including ground-state symmetries, band dispersions, and topology of electronic wave functions. However, effective manipulation of them in a single system has been lacking, hindering the pursuit of strong responses. Here, we report on the effective manipulation of the two mechanisms in a single graphene moiré superlattice, AB-BA stacked twisted double bilayer graphene. Most saliently, by virtue of the high tunability of moiré band structures and scattering rates, a record-high second-order transverse conductivity ∼ 510 μm S V-1 is observed, which is orders of magnitude higher than any reported values in the literature. Our findings establish the potential of electrically tunable graphene moiré systems for nonlinear transport manipulations and applications.

Scattering of ultrashort electron wave packets: optical theorem, differential phase contrast and angular asymmetries

Recent advances in electron microscopy allowed the generation of high-energy electron wave packets of ultrashort duration. Here we present a non-perturbative S-matrix theory for scattering of ultrashort electron wave packets by atomic targets. We apply the formalism to a case of elastic scattering and derive a generalized optical theorem for ultrashort wave-packet scattering. By numerical simulations with 1 fs wave packets, we find in angular distributions of electrons on a detector one-fold and anomalous two-fold azimuthal asymmetries. We discuss how the asymmetries relate to the coherence properties of the electron beam, and to the magnitude and phase of the scattering amplitude. The essential role of the phase of the exact scattering amplitude is revealed by comparison with results obtained using the first-Born approximation. Our work paves a way for controlling electron-matter interaction by the lateral and transversal coherence properties of pulsed electron beams.

Distinguishing Elements at the Sub-Nanometer Scale on the Surface of a High Entropy Alloy.

Materials in crystalline form possess translational symmetry (TS) when the unit cell is repeated in real space with long- and short-range orders. The periodic potential in the crystal regulates the electron wave function and results in unique band structures, which further define the physical properties of the materials. Amorphous materials lack TS due to the randomization of distances and arrangements between atoms, causing the electron wave function to lack a well-defined momentum. High entropy materials provide another way to break the TS by randomizing the potential strength at periodic atomic sites. The local elemental distribution has a great impact on physical properties in high entropy materials. It is critical to distinguish elements at the sub-nanometer scale to uncover the correlations between the elemental distribution and the material properties. Here, the use of synchrotron X-ray scanning tunneling microscopy (SX-STM) with sub-nm scale resolution in identifying elements on a high entropy alloy (HEA) surface is demonstrated. By examining the elementally sensitive X-ray absorption spectra with an STM tip to enhance the spatial resolution, the elemental distribution on an HEA's surface at a sub-nm scale is extracted. These results open a pathway towardsquantitativelyunderstanding high entropy materials and their material properties.

Evidences for local non-centrosymmetricity andstrong phonon anomaly in EuCu2As2:A Raman spectroscopy and lattice dynamics study.

Phonon modes and their association with the electronic states have been
investigated for the metallic EuCu2As2system. In this work, we present the Raman
spectra of this pnictide system which clearly shows the presence of seven well defined
peaks above 100 cm-1
that is consistent with the locally non-centrosymmetric P4/nmm
crystal structure, contrary to that what is expected from the accepted symmorphic
I4/mmm structure. Lattice dynamics calculations using the P4/nmm symmetry attest
that there is a commendable agreement between the calculated phonon spectra at
the Γ point and the observed Raman mode frequencies, with the most intense peak
at ∼ 232 cm-1being ascribed to the A1gmode. Temperature dependent Raman
measurements show that there is a significant deviation from the expected anharmonic
behaviour around 165 K for the A1gmode, with anomalies being observed for several
other modes as well, although to a lesser extent. Attempts are made to rationalize
the observed anomalous behavior related to the hardening of the phonon modes, with
parallels being drawn from metal dichalcogenide and allied systems. Similarities in the
evolution of the Raman peak frequencies with temperature seem to suggest a strong
signature of a subtle electronic density wave instability below 165 K in this compound.

Nonlocal effects in plasmon-emitter interactions

Abstract Nonlocal and quantum mechanical phenomena in noble metal nanostructures become increasingly crucial when the relevant length scales in hybrid nanostructures reach the few-nanometer regime. In practice, such mesoscopic effects at metal–dielectric interfaces can be described using exemplary surface-response functions (SRFs) embodied by the Feibelman d-parameters. Here we show that SRFs dramatically influence quantum electrodynamic phenomena – such as the Purcell enhancement and Lamb shift – for quantum light emitters close to a diverse range of noble metal nanostructures interfacing different homogeneous media. Dielectric environments with higher permittivities are shown to increase the magnitude of SRFs calculated within the specular-reflection model. In parallel, the role of SRFs is enhanced in noble metal nanostructures characterized by large surface-to-volume ratios, such as thin planar metallic films or shells of core–shell nanoparticles, for which the spill-in of electron wave functions enhances plasmon hybridization. By investigating emitter quantum dynamics close to such plasmonic architectures, we show that decreasing the width of the metal region, or increasing the permittivity of the interfacing dielectric, leads to a significant change in the Purcell enhancement, Lamb shift, and visible far-field spontaneous emission spectrum, as an immediate consequence of SRFs. We anticipate that fitting the theoretically modelled spectra to experiments could allow for experimental determination of the d-parameters.

Control of quantum paths in harmonic generation through orthogonal fields specific frequency ratios

By solving a two-dimensional, time-dependent Schrödinger equation, we investigate high-order harmonic generation for the H2+ molecular ion in orthogonally polarized two-color laser pulses. We find that harmonic generation depends on the frequency ratio n=ωyωx . When the wavelength is 800 nm and n = 1.2, the harmonic plateau becomes smoother, and the quantum orbital interference decreases. We change the fundamental wavelength and find that the harmonic spectrum exhibits a supercontinuum structure, and the quantum orbital is controllable. When the wavelength is 1600 nm and 2000 nm, and n = 1.2, we gain a deeper understanding of the physical process of harmonics. We have provided the time-frequency distribution and the probability density of an electron wave packet picture. Next, we analyzed the impact of the carrier-envelope phase on harmonics, and we combined Lissajous figures to continue our analysis. The research results find that when the carrier-envelope phase is 0, 0.5π, π, and 1.5π, the harmonic intensity becomes higher, and all exhibit a supercontinuum structure. We chose certain orders of harmonics, and isolated attosecond pulses can be synthesized.

Secondary Whistler and Ion-cyclotron Instabilities Driven by Mirror Modes in Galaxy Clusters

Electron cyclotron waves (whistlers) are commonly observed in plasmas near Earth and the solar wind. In the presence of nonlinear mirror modes, bursts of whistlers, usually called lion roars, have been observed within low magnetic field regions associated with these modes. In the intracluster medium (ICM) of galaxy clusters, the excitation of the mirror instability is expected, but it is not yet clear whether electron and ion cyclotron (IC) waves can also be present under conditions where gas pressure dominates over magnetic pressure (high β). In this work, we perform fully kinetic particle-in-cell simulations of a plasma subject to a continuous amplification of the mean magnetic field B (t) to study the nonlinear stages of the mirror instability and the ensuing excitation of whistler and IC waves under ICM conditions. Once mirror modes reach nonlinear amplitudes, both whistler and IC waves start to emerge simultaneously, with subdominant amplitudes, propagating in low- B regions, quasi-parallel to B (t). We show that the underlying source of excitation is the pressure anisotropy of electrons and ions trapped in mirror modes with loss-cone-type distributions. We also observe that IC waves play an essential role in regulating the ion pressure anisotropy at nonlinear stages. We argue that whistler and IC waves are a concomitant feature at late stages of the mirror instability even at high β, and therefore, expected to be present in astrophysical environments like the ICM. We discuss the implications of our results for collisionless heating and dissipation of turbulence in the ICM.

Macroscopic quantum response to gravitational waves

We study the excitation of a one-electron quantum cyclotron bygravitational waves. The electron in such as a penning trap is prepared tobe at the lowest Landau level, which has an infinitedegeneracy parameterized by the spread of the wave function in position space. We find that the excitation rate from the ground state to the first excited state is enhanced by the size of the electron wave function: an electron with a larger wave function feels gravitational waves more. As a consequence, we derive a good sensitivity to gravitational waves at a macroscopic one-electron quantum cyclotron.

Ultrafast Kapitza-Dirac effect.

Similar to the optical diffraction of light passing through a material grating, the Kapitza-Dirac effect occurs when an electron is diffracted by a standing light wave. In its original description, the effect is time independent. Here, we extended the Kapitza-Dirac effect to the time domain. By tracking the spatiotemporal evolution of a pulsed electron wave packet diffracted by a 60-femtosecond (where one femtosecond = 10-15 seconds) standing wave pulse in a pump-probe scheme, we observed time-dependent diffraction patterns. The fringe spacing in the observed pattern differs from that generated by the conventional Kapitza-Dirac effect. By exploiting this time-resolved diffraction scheme, we can access the time evolution of the phase properties of a free electron and potentially image ionic potentials and electronic decoherences.

Application of Hilbert-Differential Phase Contrast to Scanning Transmission Electron Microscopy.

We report a novel class of scanning transmission electron microscopy with Hilbert-differential phase contrast (HDP-STEM) that displays nanostructures of thin samples in a topographical manner. A semicircular π phase plate (PP) was used as an optical device for manipulating electron waves in HDP-STEM. This is the different design from the Zernike PP used in our previous phase plate STEM (P-STEM), but both must be placed in the front focal plane of the condenser lens. HDP-STEM images of multi-walled carbon nanotubes showed higher contrast than those obtained by conventional bright-field STEM. Since the PP of the HDP-STEM is nonsymmetrical, several different images were obtained by changing the detection conditions. A two-dimensional electron detector was also used to remove the scattering contrast component in the same way as with the Zernike PP and obtain an image containing only (differential) phase contrast.

Modeling of High-Harmonic Generation in the C60 Fullerene Using Ab Initio, DFT-Based, and Semiempirical Methods.

We report calculations of the high-harmonic generation spectra of the C60 fullerene molecule carried out by employing a diverse set of real-time time-dependent quantum chemical methods. All methodologies involve expanding the propagated electronic wave function in bases consisting of the ground and singly excited time-independent eigenstates obtained through the solution of the corresponding linear-response equations. We identify the correlation and exchange effect in the spectra by comparing the results from methods relying on the Hartree-Fock reference determinant with those obtained using approaches based on the density functional theory with different exchange-correlation functionals. The effect of the full random-phase approximation treatment of the excited electronic states is also analyzed and compared with the configuration interaction singles and the Tamm-Dancoff approximation. We also showcase the fact that the real-time extension of the semiempirical method INDO/S can be effectively applied for an approximate description of laser-driven dynamics in large systems.

Nonadiabatic Conical Intersection Dynamics in the Local Diabatic Representation with Strang Splitting and Fourier Basis.

We develop and implement an exact conical intersection nonadiabatic wave packet dynamics method that combines the local diabatic representation, Strang splitting for the total molecular propagator, and discrete variable representation with uniform grids. By employing the local diabatic representation, this method captures all nonadiabatic effects, including nonadiabatic transitions, electronic coherences, and geometric phase. Moreover, it is free of singularities in the first and second derivative couplings and does not require the electronic wave function to be continuous with respect to the nuclear coordinates. We further show that in contrast to the adiabatic representation, the split-operator method can be directly applied to the full molecular propagator with the locally diabatic ansatz. The Fourier series, employed as the primitive nuclear basis functions, is universal and can be applied to all types of reactive coordinates. The combination of local diabatic representation, Strang splitting, and Fourier basis allows numerically exact modeling of conical intersection quantum dynamics directly with adiabatic electronic states that can be obtained from standard electronic structure computations.

Numerical Simulation for Solitary Waves of the Generalized Zakharov Equation Based on the Lattice Boltzmann Method

The generalized Zakharov equation is a widely used and crucial model in plasma physics, which helps to understand wave particle interactions and nonlinear wave propagation in plasma. The solitary wave solution of this equation provides insights into phenomena such as electron and ion acoustic waves, as well as magnetic field disturbances in plasma. The numerical simulation of solitary wave solutions to the generalized Zakharov equation is an interesting problem worth studying. This is crucial for plasma-based technology, as well as for understanding nonlinear wave propagation in plasma physics and other fields. In this study, a numerical investigation of the generalized Zakharov equation using the lattice Boltzmann method has been conducted. The lattice Boltzmann method is a new modeling and simulating method at the mesoscale. A lattice Boltzmann model was constructed by performing Taylor expansion, Chapman–Enskog expansion, and time multiscale expansion on the lattice Boltzmann equation. By defining the moments of the equilibrium distribution function appropriately, the macroscopic equation can be restored. Furthermore, the numerical experiments for the equation are carried out with the parameter lattice size m=100, time step Δt=0.001, and space step size Δx=0.4. The solitary wave solution of the equation is numerically simulated. Numerical results under different parameter values are compared, and the convergence and effectiveness of the model are numerically verified. It is obtained that the model is convergent in time and space, and the convergence orders are all 2.24881. The effectiveness of our model was also verified by comparing the numerical results of different numerical methods. The lattice Boltzmann method demonstrates advantages in both accuracy and CPU time. The results indicate that the lattice Boltzmann method is a good tool for computing the generalized Zakharov equation.

Surface Hopping with Reliable Wave Function by Introducing Auxiliary Wave Packets to Trajectory Branching.

It is well-known that the widely utilized fewest switches surface hopping method suffers from the severe overcoherence problem, and thus adiabatic populations calculated by wave functions are generally inferior to those based on active states. More importantly, to achieve a complete description of nonadiabatic dynamics, the density matrix is essential. In this paper, we present an auxiliary branching corrected surface hopping (A-BCSH) method that introduces auxiliary wave packets (WPs) on the adiabatic potential energy surfaces for trajectory branching. Both rapid and gradual separation of WP components on different surfaces are characterized, and thus the correct decoherence time along each trajectory is captured. As demonstrated in the three standard Tully models, A-BCSH exhibits excellent internal consistency. Namely, close adiabatic populations are obtained based on both wave functions and active states. In particular, A-BCSH successfully obtains a reliable time-dependent spatial distribution of the density matrix, which relies only on electronic wave functions. Due to its high performance, our A-BCSH method provides a new and highly promising perspective on further development of more consistent surface hopping with reliable wave function.

[formula omitted]-type doping modulation of double GaAs/AlGaAs quantum wells

Utilizing the FEniCS Project and Python programming, we conduct a comprehensive characterization and analysis of the n-type doped layer in double quantum wells made of GaAs and featuring AlGaAs barriers through self-consistent Schrödinger–Poisson simulations. The main findings reveal that the dimensions of the system and the doping layer significantly influence the electronic properties, energy levels, Fermi energy, wave functions, and electron density. Upon doping the intermediate barrier, electrons exhibit notable migration from the doping region to the quantum well zones, particularly pronounced for thin barriers. Conversely, for large barriers, the emergence of a new well, akin to a real quantum well, imposes constraints on the movement of charge carriers. The electron density varies in accordance with the impurity density, which assumes significant importance as the quantum well and barrier width are reduced. The Fermi energy level, which play a crucial role in semiconductors, rises with a decrease in quantum well width or an increase in doped layer width and n-type doping density, remaining almost unaffected by variations in barrier width.

Consistent Construction of the Density Matrix from Surface Hopping Trajectories.

Proper construction of the density matrix based on surface hopping trajectories remains a difficult problem. Due to the well-known overcoherence in traditional surface hopping simulations, the electronic wave function cannot be used directly. In this work, we propose a consistent density matrix construction method, which takes the advantage of occupation of active states to rescale the coherence calculated by wave functions and ensures the intrinsic consistency of the density matrix. This new trajectory analysis method can be used for both Tully's fewest switches surface hopping (FSSH) and our recently proposed branching corrected surface hopping (BCSH). As benchmarked in both one- and two-dimensional standard scattering models, the new approach combined with BCSH trajectories achieves highly accurate time-dependent spatial distributions of adiabatic populations and coherence compared to exact quantum results.